N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide

C28H26N2O3S — CID 1252923

IUPACN,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-22-12-18-27(19-13-22)34(32,33)29-26-16-14-25(15-17-26)28(31)30(20-23-8-4-2-5-9-23)21-24-10-6-3-7-11-24/h2-19,29H,20-21H2,1H3
InChIKeyJCCYXCLXDOSUOF-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.64
Rot. Bonds8

About N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide

N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 1252923) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID1252923
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-22-12-18-27(19-13-22)34(32,33)29-26-16-14-25(15-17-26)28(31)30(20-23-8-4-2-5-9-23)21-24-10-6-3-7-11-24/h2-19,29H,20-21H2,1H3
InChIKeyJCCYXCLXDOSUOF-UHFFFAOYSA-N
XLogP5.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511993
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 27826829
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 55513753
N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 38518080
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46653296
N-ethyl-N-(2-hydroxyethyl)-4-(phenylsulfamoyl)benzamide
CID 78796066
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 1252923) is N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is JCCYXCLXDOSUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-22-12-18-27(19-13-22)34(32,33)29-26-16-14-25(15-17-26)28(31)30(20-23-8-4-2-5-9-23)21-24-10-6-3-7-11-24/h2-19,29H,20-21H2,1H3.
What are the key properties of N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 470.59 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 1252923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).